SCHEMBL13301149

SCHEMBL13301149

NNC(=O)C(CCS)NC(=O)CCCCCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
NOD1 Q9Y239 3/20 0.39
HDAC3 O15379 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC10 Q969S8 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
KMT2A Q03164 2/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
HDAC4 P56524 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC9 Q9UKV0 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
PGGT1B P53609 1/20 0.37
ENPEP Q07075 1/20 0.37
GNPAT O15228 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13301147 0.91 NOD1 (0.43) FNTAFNTBNOD1HDAC3HDAC1
SCHEMBL14510521 0.87 NOD1 (0.43) FNTAFNTBNOD1HDAC3HDAC1
SCHEMBL13301148 0.86 NOD1 (0.45) FNTAFNTBNOD1HDAC3HDAC1
SCHEMBL13301136 0.81 ENPEP (0.34) ENPEPGNPAT
SCHEMBL15893934 0.75 NOD1 (0.47) FNTAFNTBNOD1HDAC3HDAC1
SCHEMBL29240120 0.74 ALDH1A1 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16187737 0.74 SLC6A5 (0.59) FNTAFNTBNOD1NMT2NMT1
SCHEMBL16187739 0.74 SLC6A5 (0.59) FNTAFNTBNOD1NMT2NMT1
SCHEMBL18807817 0.74 SLC6A5 (0.59) FNTAFNTBNOD1NMT2NMT1
SCHEMBL16187733 0.74 SLC6A5 (0.59) FNTAFNTBNOD1NMT2NMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095467-A1 MOLECULAR CONJUGATE Ventana Medical Systems, Inc. (US) 2016-11-23 EP disclosed
US-20160195540-A1 Molecular Conjugate VENTANA MED SYST INC (US) 2016-07-07 US disclosed
US-9310373-B2 Molecular conjugate VENTANA MEDICAL SYSTEMS, INC. (US) 2016-04-12 US disclosed
EP-1951316-B1 Molecular conjugate VENTANA MED SYST INC (US) 2015-08-19 EP disclosed
US-20140205995-A1 MOLECULAR CONJUGATE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-07-24 US disclosed
US-20100136652-A1 Molecular Conjugate VENTANA MEDICAL SYSTEMS, INC. 2010-06-03 US disclosed
US-20100136652-A1 Molecular Conjugate VENTANA MEDICAL SYSTEMS, INC. 2010-06-03 US disclosed
WO-2007062177-A2 MOLECULAR CONJUGATE VENTANA MEDICAL SYSTEMS, INC. (US) 2007-05-31 WO disclosed
US-20070117153-A1 Molecular conjugate VENTANA MEDICAL SYSTEMS, INC. 2007-05-24 US disclosed
US-20070117153-A1 Molecular conjugate VENTANA MEDICAL SYSTEMS, INC. 2007-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160195540-A1 Molecular Conjugate CA12, FCGR2A, CA14 FNTA 787/4885FNTB 432/4885NOD1 4014/4885
US-20100136652-A1 Molecular Conjugate CA12, FCGR2A, CA14 FNTA 787/4885FNTB 432/4885NOD1 4014/4885
US-20070117153-A1 Molecular conjugate CA12, FCGR2A, CA14 FNTA 787/4885FNTB 432/4885NOD1 4014/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.